In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.49 | 4.21 | -45.37 | 3 | 3 | 1 | 44 | 248.394 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 5.31 | -36.58 | 3 | 3 | 1 | 43 | 248.394 | 6 | ↓ |